
 CHEMBL128954

 46 49  0  0  0  0  0  0  0  0999 V2000
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    0.5324   -3.1562    0.0980 C   0  0  0  0  0
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    0.0748   -3.3367    4.5807 C   0  0  0  0  0
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   -0.1450   -1.1498    3.3717 C   0  0  0  0  0
   -0.6442    0.2936    3.4265 C   0  0  0  0  0
    0.1218    1.2455    4.1223 C   0  0  0  0  0
   -0.3077    2.5689    4.2422 C   0  0  0  0  0
   -1.5133    2.9651    3.6710 C   0  0  0  0  0
   -2.2886    2.0369    2.9824 C   0  0  0  0  0
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   -2.4745   -2.7481    3.2747 C   0  0  0  0  0
   -3.6279   -2.8190    2.8625 O   0  0  0  0  0
    1.4601   -1.5106   -2.0018 H   0  0  0  0  0
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   -2.6649   -1.2210    4.7649 H   0  0  0  0  0
   -2.4319   -2.8636    5.4079 H   0  0  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL128954

>  <PubChem CID>
44351533

>  <Formula>
C19H25NO

>  <Molecular Weight>
283.415000

>  <IUPAC Name>
2-phenyl-3-piperidin-1-ylbicyclo[2.2.2]octan-5-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(CC1)C2C3CCC(C2C4=CC=CC=C4)CC3=O

>  <Isomeric SMILES>
C1CCN(CC1)C2C3CCC(C2C4=CC=CC=C4)CC3=O

>  <InChI Std. ID>
InChI=1S/C19H25NO/c21-17-13-15-9-10-16(17)19(20-11-5-2-6-12-20)18(15)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,18-19H,2,5-6,9-13H2

>  <InChI Key>
TWEOXNBABJCSDU-UHFFFAOYSA-N

